N-[5-chloro-2-[(4-pyridin-3-yloxyphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide

C25H18ClN3O6S2 — CID 67970598

IUPACN-[5-chloro-2-[(4-pyridin-3-yloxyphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1NS(=O)(=O)c1cc2ccccc2o1)c1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C25H18ClN3O6S2/c26-18-7-12-22(23(15-18)29-37(32,33)25-14-17-4-1-2-6-24(17)35-25)28-36(30,31)21-10-8-19(9-11-21)34-20-5-3-13-27-16-20/h1-16,28-29H
InChIKeyZBLUXUWXRZFVES-UHFFFAOYSA-N
MW556.02 g/mol
LogP5.88
Rot. Bonds8

About N-[5-chloro-2-[(4-pyridin-3-yloxyphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide

N-[5-chloro-2-[(4-pyridin-3-yloxyphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide (PubChem CID 67970598) has the molecular formula C25H18ClN3O6S2 and a molecular weight of 556.02 g/mol. Its IUPAC name is N-[5-chloro-2-[(4-pyridin-3-yloxyphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide.

Molecular Properties

Compound NameN-[5-chloro-2-[(4-pyridin-3-yloxyphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
PubChem CID67970598
Molecular FormulaC25H18ClN3O6S2
Molecular Weight556.02 g/mol
Exact Mass555.03
IUPAC NameN-[5-chloro-2-[(4-pyridin-3-yloxyphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1NS(=O)(=O)c1cc2ccccc2o1)c1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C25H18ClN3O6S2/c26-18-7-12-22(23(15-18)29-37(32,33)25-14-17-4-1-2-6-24(17)35-25)28-36(30,31)21-10-8-19(9-11-21)34-20-5-3-13-27-16-20/h1-16,28-29H
InChIKeyZBLUXUWXRZFVES-UHFFFAOYSA-N
XLogP5.88
TPSA127.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.02
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-chloro-2-[(4-phenoxyphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
CID 67970160
N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-6-phenoxypyridine-3-sulfonamide
CID 67969992
N-[5-chloro-2-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
CID 67970329
N-[5-chloro-2-(ethylsulfonylamino)phenyl]-1-benzofuran-2-sulfonamide
CID 67970231
N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-2-chloro-1,3-benzothiazole-6-sulfonamide
CID 67970093
N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-1,3-benzodioxole-5-sulfonamide
CID 57383188
[5-[[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]sulfamoyl]-2-chlorophenyl] formate
CID 88544142
N-[2-[[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]disulfanyl]-5-chlorophenyl]-1-benzofuran-2-sulfonamide
CID 86667125
N-[5-chloro-2-[(2-methylsulfonylphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
CID 67970119
N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-6-morpholin-4-ylpyridine-3-sulfonamide
CID 67970255
N-[5-chloro-2-(pyridin-3-ylmethylsulfanyl)-3-pyridinyl]-1-benzofuran-2-sulfonamide
CID 71728031
N-[5-chloro-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
CID 67970240

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[(4-pyridin-3-yloxyphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide?
The IUPAC name of N-[5-chloro-2-[(4-pyridin-3-yloxyphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide (CID 67970598) is N-[5-chloro-2-[(4-pyridin-3-yloxyphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide.
What is the SMILES notation for N-[5-chloro-2-[(4-pyridin-3-yloxyphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide?
The canonical SMILES for N-[5-chloro-2-[(4-pyridin-3-yloxyphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide is O=S(=O)(Nc1ccc(Cl)cc1NS(=O)(=O)c1cc2ccccc2o1)c1ccc(Oc2cccnc2)cc1.
What is the InChIKey of N-[5-chloro-2-[(4-pyridin-3-yloxyphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide?
The InChIKey is ZBLUXUWXRZFVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClN3O6S2/c26-18-7-12-22(23(15-18)29-37(32,33)25-14-17-4-1-2-6-24(17)35-25)28-36(30,31)21-10-8-19(9-11-21)34-20-5-3-13-27-16-20/h1-16,28-29H.
What are the key properties of N-[5-chloro-2-[(4-pyridin-3-yloxyphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide?
N-[5-chloro-2-[(4-pyridin-3-yloxyphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide has a molecular weight of 556.02 g/mol, XLogP of 5.88, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[(4-pyridin-3-yloxyphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide is sourced from PubChem (CID 67970598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).